Information card for entry 2212414

Structure parameters

• Chemical name: Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]
• Formula: C26 H30 N4 O12 P2 Zn2
• Calculated formula: C26 H30 N4 O12 P2 Zn2
• SMILES: c12c3cccc[n]3[Zn]34(OP(=O)(O)CCC5=[O][Zn]6([n]7ccccc7c7cccc[n]67)(OP(=O)(O)CCC(=[O]3)O4)(O5)[OH2])([OH2])[n]2cccc1
• Title of publication: Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]
• Authors of publication: Shao-Ming Ying; Xin-Fa Li; Wen-Tong Chen; Dong-Sheng Liu; Jiu-Hui Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m555 - m557
• a: 8.6344 ± 0.0003 Å
• b: 17.7484 ± 0.0006 Å
• c: 20.5928 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.78 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes